Relativistic scattered-wave theory by means of the elimination method

Abstract

A relativistic scattered-wave method is developed by solving the relativistic Hartree-Fock-Slater equations for a potential of muffin-tin type in terms of the elimination method. The radial functions of the large component for the central-field regions are solutions of a second-order differential equation containing only regular potential terms. The relativistic scattering factors presented have the same formal structure as the non-relativistic ones. Contributions to the one-electron orbital energies can be given, corresponding to the spin-orbit interaction and the sum of the Darwin shift and the mass-velocity correction in the Pauli approximation. In the limit of infinite velocity of light, the relativistic secular equations are reduced to their non-relativistic counterparts.